(1S,2S)-2-[[(2R)-1-oxidanylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[(2R)-1-oxidanylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[(1R)-1-(hydroxymethyl)propyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[(2R)-1-hydroxybutan-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1R)-1-methylolpropyl]carbamoyl]cyclohexanecarboxylate Formula: C12H20NO4- MolecularWeight: 242.2915

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1CCCCC1C(=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]

InChI

InChI=1S/C12H21NO4/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(16)17/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)/p-1/t8-,9+,10+/m1/s1